Information card for entry 7000386

Structure parameters

• Common name: (2,2'-dipyridylamine)(eta2-cis-1,2-(diphenyl)ethene)copper(i) tetrafluoroborate
• Chemical name: (2,2'-dipyridylamine)(η2-cis-1,2-(diphenyl)ethene)copper(I) tetrafluoroborate
• Formula: C24 H21 B Cu F4 N3
• Calculated formula: C24 H21 B Cu F4 N3
• SMILES: [Cu]12([n]3c(Nc4[n]1cccc4)cccc3)[CH](=[CH]2c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Olefin coordination in copper(I) complexes of bis(2-pyridyl)amine
• Authors of publication: Allen, John J.; Barron, Andrew R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 878 - 890
• a: 10.324 ± 0.002 Å
• b: 22.671 ± 0.005 Å
• c: 10.923 ± 0.002 Å
• α: 90°
• β: 116.92 ± 0.03°
• γ: 90°
• Cell volume: 2279.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 101.33 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2184
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No